Geometry & MOs

Info

ID:	80503
PubChem CID:	49834806
Reduced:	OSF3N4C15H17 (1)
Stoich.:	ABC3D4E15F17 (1)
Weight, g/mol:	357.075882
ΔH_f, kcal/mol:	-140.63
Dipole, Da:	6.04
IP(EA), eV:	-9.3(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC=C(S2)C(=O)N3CCC(CC3)N)C(F)(F)F

DOS

IR

Vibrations